4-methylbenzenesulfonic acid; 7-methyl-5-methylsulfanyl-benzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile

Systemtic Name: 4-methylbenzenesulfonic acid; 7-methyl-5-methylsulfanyl-benzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile Openeye Name: 4-methylbenzenesulfonic acid; 7-methyl-5-methylsulfanyl-benzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile CAS Name: 4-methylbenzenesulfonic acid; 7-methyl-5-(methylthio)-6-benzimidazolo[1,2-a]quinolin-12-iumcarbonitrile IUPAC Name: 4-methylbenzenesulfonic acid; 7-methyl-5-methylsulfanylbenzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile Traditional Name: 7-methyl-5-(methylthio)benzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile; tosylic acid Formula: C25H22N3O3S2+ MolecularWeight: 476.59048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN1C2=CC=CC=C2[N+]3=C1C(=C(C4=CC=CC=C43)SC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN1C2=CC=CC=C2[N+]3=C1C(=C(C4=CC=CC=C43)SC)C#N

InChI

InChI=1S/C18H14N3S.C7H8O3S/c1-20-15-9-5-6-10-16(15)21-14-8-4-3-7-12(14)17(22-2)13(11-19)18(20)21;1-6-2-4-7(5-3-6)11(8,9)10/h3-10H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;